Dapt
AlkaPlorer ID: AK096415
Synonym: None
IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
Structure
SMILES: C[C@H](N=C(O)CC1=CC(F)=CC(F)=C1)C(O)=N[C@H](C(=O)OC(C)(C)C)C1=CC=CC=C1
InChI: InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1
InChIKey: DWJXYEABWRJFSP-XOBRGWDASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Calotropis gigantea | Calotropis | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 432.4670000000002
TPSA？: 91.48
MolLogP？: 4.891800000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2